JP2015173069A5 - - Google Patents
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- JP2015173069A5 JP2015173069A5 JP2014049043A JP2014049043A JP2015173069A5 JP 2015173069 A5 JP2015173069 A5 JP 2015173069A5 JP 2014049043 A JP2014049043 A JP 2014049043A JP 2014049043 A JP2014049043 A JP 2014049043A JP 2015173069 A5 JP2015173069 A5 JP 2015173069A5
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- mass
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- collision
- calibration
- quadrupole
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- 150000002500 ions Chemical class 0.000 description 13
- 238000004458 analytical method Methods 0.000 description 10
- 238000001360 collision-induced dissociation Methods 0.000 description 7
- 238000005259 measurement Methods 0.000 description 5
- 230000000875 corresponding Effects 0.000 description 4
- DTQVDTLACAAQTR-UHFFFAOYSA-N trifluoroacetic acid Chemical compound OC(=O)C(F)(F)F DTQVDTLACAAQTR-UHFFFAOYSA-N 0.000 description 4
- RVZRBWKZFJCCIB-UHFFFAOYSA-N Perfluorotributylamine Chemical compound FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F RVZRBWKZFJCCIB-UHFFFAOYSA-N 0.000 description 2
- 239000002202 Polyethylene glycol Substances 0.000 description 2
- 238000000065 atmospheric pressure chemical ionisation Methods 0.000 description 2
- 238000000451 chemical ionisation Methods 0.000 description 2
- 238000000132 electrospray ionisation Methods 0.000 description 2
- 229920001223 polyethylene glycol Polymers 0.000 description 2
- 239000002904 solvent Substances 0.000 description 2
- 150000001875 compounds Chemical class 0.000 description 1
- 238000001514 detection method Methods 0.000 description 1
- 238000010494 dissociation reaction Methods 0.000 description 1
- 230000005593 dissociations Effects 0.000 description 1
- 238000000752 ionisation method Methods 0.000 description 1
- 239000007788 liquid Substances 0.000 description 1
- 230000005405 multipole Effects 0.000 description 1
- OZAIFHULBGXAKX-UHFFFAOYSA-N precursor Substances N#CC(C)(C)N=NC(C)(C)C#N OZAIFHULBGXAKX-UHFFFAOYSA-N 0.000 description 1
Description
上記第3発明では、第1発明及び第2発明のように複数の衝突誘起解離ガス圧について質量較正情報を記憶するのでなく、ユーザが指定した衝突誘起解離ガス圧に関する質量較正情報のみを較正情報記憶手段に記憶し、該衝突誘起解離ガス圧による目的試料のMS/MS分析をする際に、該質量較正情報を用いた質量較正を実行する。このような構成によれば、保持しておくべき質量較正情報の量が一層少なくて済むという利点がある。なお、前記「ユーザより指定された衝突誘起解離ガス圧下で前記コリジョンセルにおける前記プリカーサイオンの解離を伴う分析を行って取得された、質量電荷比と較正値との関係を示す質量較正情報」は、前記「ユーザより指定された衝突誘起解離ガス圧下」で、ユーザが指定した一つの測定モードによる分析を行って得られたものであってもよく、あるいは前記「ユーザより指定された衝突誘起解離ガス圧下」で種々の測定モードによる分析を行って取得されたものであってもよい。前者の場合、制御手段は前記一つの測定モードによる分析を行って得られた質量較正情報を前記較正情報記憶手段から読み出し、該情報に基づいて前段四重極及び後段四重極をそれぞれ駆動するものとする。一方、後者の場合、較正情報記憶手段に記憶される質量較正情報は、前記「ユーザより指定された衝突誘起解離ガス圧」下における質量電荷比と較正値との関係を測定モード毎に記述したものとなるため、制御手段は実行されるMS/MS分析の測定モードに応じた質量較正情報を前記較正情報記憶手段から読み出し、該情報に基づいて前段四重極及び後段四重極をそれぞれ駆動するものとする。 In the third invention, mass calibration information is not stored for a plurality of collision-induced dissociation gas pressures as in the first and second inventions, but only the mass calibration information related to the collision-induced dissociation gas pressure specified by the user is calibrated. When the target sample is subjected to MS / MS analysis using the collision-induced dissociation gas pressure, mass calibration using the mass calibration information is executed. According to such a configuration, there is an advantage that the amount of mass calibration information to be held can be further reduced. In addition, the “mass calibration information indicating the relationship between the mass-to-charge ratio and the calibration value obtained by performing the analysis involving the dissociation of the precursor ion in the collision cell under the collision-induced dissociation gas pressure specified by the user” is Or “under the collision-induced dissociation gas pressure specified by the user”, and obtained by performing an analysis in one measurement mode specified by the user, or “the collision-induced dissociation specified by the user” It may be obtained by performing analysis in various measurement modes under “gas pressure”. In the former case, the control means reads out the mass calibration information obtained by performing the analysis in the one measurement mode from the calibration information storage means, and drives the front quadrupole and the rear quadrupole based on the information. Shall. On the other hand, in the latter case, the mass calibration information stored in the calibration information storage means describes the relationship between the mass-to-charge ratio and the calibration value for each measurement mode under the “collision-induced dissociation gas pressure specified by the user”. since the objects, the control means reads the mass calibration information corresponding to the measurement mode of the MS / MS analysis performed by the calibration information storage means, respectively drive the front quadrupole and subsequent quadrupole based on the information It shall be.
本実施例の三連四重極型質量分析装置は、図示しない真空ポンプにより真空排気される分析室11の内部に、測定対象である試料をイオン化するイオン源12と、それぞれ4本のロッド電極から成る前段四重極マスフィルタ(前段四重極)13及び後段四重極マスフィルタ(後段四重極)16と、内部に多重極型イオンガイド15が配設されたコリジョンセル14と、イオンを検出してイオン量に応じた検出信号を出力する検出器17と、を備える。流路切替部10は、例えば図示しないガスクロマトグラフから供給される測定対象である試料と較正・調整用の標準試料とを切り替えてイオン源12に供給する。標準試料としては、PEG(ポリエチレングリコール)、TFA(トリフルオロ酢酸)、PFTBA(パーフルオロトリブチルアミン)など、様々な化合物を用いることができる。試料が気体である場合にはイオン源12としてEI(電子イオン化)法、CI(化学イオン化)法などによる試料のイオン化を行うものが用いられ、試料が液体である場合には、イオン源12としてESI(エレクトロスプレーイオン化)法、APCI(大気圧化学イオン化)法、APPI(大気圧光イオン化)法などの大気圧イオン化法による試料のイオン化を行うものが用いられる。なお、大気圧イオン化法による試料のイオン化を行う場合には、イオン源12は分析室11の外部に設けられ、該イオン源12については上記真空ポンプによる真空排気は行わない構成とされる。この場合、イオン源12と分析室11の間には脱溶媒部が設けられ、イオン源12で生成されたイオンは該脱溶媒部を介して分析室11に導入される。 The triple quadrupole mass spectrometer of the present embodiment includes an ion source 12 for ionizing a sample to be measured and four rod electrodes in an analysis chamber 11 that is evacuated by a vacuum pump (not shown). A front quadrupole mass filter (front quadrupole) 13 and a rear quadrupole mass filter (back quadrupole) 16, a collision cell 14 having a multipole ion guide 15 disposed therein, and ions And a detector 17 that outputs a detection signal corresponding to the amount of ions. The flow path switching unit 10 switches the sample to be measured supplied from, for example, a gas chromatograph (not shown) and the standard sample for calibration / adjustment, and supplies them to the ion source 12. Various compounds such as PEG (polyethylene glycol), TFA (trifluoroacetic acid), and PFTBA (perfluorotributylamine) can be used as the standard sample. When the sample is a gas, an ion source 12 that performs ionization of the sample by an EI (electron ionization) method, a CI (chemical ionization) method, or the like is used. When the sample is a liquid, as the ion source 12 What performs ionization of the sample by atmospheric pressure ionization methods, such as ESI (electrospray ionization) method, APCI (atmospheric pressure chemical ionization) method, and APPI ( atmospheric pressure photoionization ) method, is used. When ionizing a sample by the atmospheric pressure ionization method, the ion source 12 is provided outside the analysis chamber 11, and the ion source 12 is configured not to be evacuated by the vacuum pump. In this case, a solvent removal unit is provided between the ion source 12 and the analysis chamber 11, and ions generated in the ion source 12 are introduced into the analysis chamber 11 through the solvent removal unit.
また制御部20は、質量較正テーブル記憶部22に保持されているQ3スキャン用質量較正テーブルセット22B2の中でCIDガス圧200kPaに対応した質量較正テーブルを参照し、指定されたスキャン速度2000u/sに対応する較正値を読み出す。すなわち、図4下段のテーブルにおける5行目の較正値(-0.79, -0.69, -0.48,…)である。そして、制御部20は、読み出した較正値を用いてQ3電源部27を制御し、後段四重極16においてスキャン速度2000u/sで質量電荷比範囲m/z70〜1300の質量スキャンが繰り返されるようにする。 The control unit 20 refers to the mass calibration table corresponding to the CID gas pressure of 200 kPa in the Q3 scan mass calibration table set 22B2 held in the mass calibration table storage unit 22, and designates the specified scan speed of 2000 u / s. The calibration value corresponding to is read out. That is, the calibration values (−0.79, −0.69, −0.48,...) In the fifth row in the lower table of FIG. Then, the control unit 20 controls the Q3 power supply unit 27 using the read calibration value so that the mass scan in the mass-to-charge ratio range m / z 70 to 1300 is repeated at the scanning speed 2000 u / s in the subsequent quadrupole 16. To.
Priority Applications (2)
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JP2014049043A JP2015173069A (en) | 2014-03-12 | 2014-03-12 | Triple-quadrupole type mass spectroscope and program |
US14/644,430 US9355827B2 (en) | 2014-03-12 | 2015-03-11 | Triple quadrupole mass spectrometer and non-transitory computer-readable medium recording a program for triple quadrupole mass spectrometer |
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JP2014049043A JP2015173069A (en) | 2014-03-12 | 2014-03-12 | Triple-quadrupole type mass spectroscope and program |
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JP2015173069A JP2015173069A (en) | 2015-10-01 |
JP2015173069A5 true JP2015173069A5 (en) | 2016-08-18 |
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JP (1) | JP2015173069A (en) |
Families Citing this family (5)
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JP2015173069A (en) * | 2014-03-12 | 2015-10-01 | 株式会社島津製作所 | Triple-quadrupole type mass spectroscope and program |
GB2552841B (en) | 2016-08-12 | 2020-05-20 | Thermo Fisher Scient Bremen Gmbh | Method of calibrating a mass spectrometer |
US10878944B2 (en) * | 2018-03-23 | 2020-12-29 | Thermo Finnigan Llc | Methods for combining predicted and observed mass spectral fragmentation data |
WO2020241454A1 (en) * | 2019-05-31 | 2020-12-03 | 株式会社新日本科学 | Mass spectrometry method using chromatography-mass spectrometry device |
CN114910544A (en) * | 2022-05-12 | 2022-08-16 | 南京品生医疗科技有限公司 | Control system and method of triple quadrupole mass spectrometer |
Family Cites Families (11)
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JP3404849B2 (en) | 1993-12-29 | 2003-05-12 | 株式会社島津製作所 | MS / MS mass spectrometer |
JPH11183439A (en) | 1997-12-24 | 1999-07-09 | Shimadzu Corp | Liquid chromatograph mass spectrometer |
EP1759402B1 (en) * | 2004-05-21 | 2015-07-08 | Craig M. Whitehouse | Rf surfaces and rf ion guides |
US20060255261A1 (en) * | 2005-04-04 | 2006-11-16 | Craig Whitehouse | Atmospheric pressure ion source for mass spectrometry |
US8748811B2 (en) * | 2009-02-05 | 2014-06-10 | Shimadzu Corporation | MS/MS mass spectrometer |
US8269166B2 (en) * | 2009-02-05 | 2012-09-18 | Shimadzu Corporation | MS/MS mass spectrometer |
JP5327138B2 (en) | 2010-05-26 | 2013-10-30 | 株式会社島津製作所 | Tandem quadrupole mass spectrometer |
JP5370312B2 (en) | 2010-08-23 | 2013-12-18 | 株式会社島津製作所 | Mass spectrometer |
JP5454484B2 (en) * | 2011-01-31 | 2014-03-26 | 株式会社島津製作所 | Triple quadrupole mass spectrometer |
WO2014073094A1 (en) * | 2012-11-09 | 2014-05-15 | 株式会社島津製作所 | Mass analysis device and mass calibration method |
JP2015173069A (en) * | 2014-03-12 | 2015-10-01 | 株式会社島津製作所 | Triple-quadrupole type mass spectroscope and program |
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